[gmx-users] tip3p itp file parameters

Sai Pooja saipooja at gmail.com
Thu Nov 4 18:55:27 CET 2010

When using the charmm forcefield, the following is the case:

1. ffnonbonded.itp - has listed paramters for tip3p (and other water models)
OWT3  and HWT3
2. ffbonded.itp - does not have paramters for OWT3 and HWT3

Does this mean:

1. nonbonded parameters for tip3p are read from ffnonbonded.itp for ALL
nonbonded interactions OR
for water-water interactions are read from tip3p.itp file and for
protein-water are read from ffnonbonded.itp?

2.bonded paramters for tip3p are read from tip3p.itp file?


Quaerendo Invenietis-Seek and you shall discover.
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